SCHEMBL10247397

SCHEMBL10247397

CCC(C)c1cnc2c(ccc3ccc(-c4ccccc4)nc32)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
PARP1 P09874 1/20 0.35
DHFR P00374 1/20 0.35
ADORA1 P30542 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MET P08581 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FFAR1 O14842 1/20 0.33
CYP3A4 P08684 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19010015 0.83 CCR1 (0.45) HSD17B10RAB9ACCR1CCR5CCR8
SCHEMBL25847349 0.76 CCR1 (0.61) CYP11B1CYP11B2PARP1NPC1RAB9A
SCHEMBL29250321 0.75 KDM4E (0.54) CYP11B1CYP11B2PARP1RAB9A
SCHEMBL21032339 0.73 CCR1 (0.58) CYP11B1CYP11B2PARP1NPC1RAB9A
SCHEMBL14900765 0.73 KDM4E (0.47) CYP11B1CYP11B2PARP1ADORA1ADORA2A
SCHEMBL25850634 0.73 KDM4E (0.51) CYP11B1CYP11B2PARP1RAB9A
SCHEMBL17899323 0.72 KDM4E (0.43) PARP1RAB9ACCR1CCR5CCR8
SCHEMBL26364628 0.72 KDM4E (0.50) CYP11B1CYP11B2PARP1RAB9A
SCHEMBL29441293 0.71 MEN1 (0.59) PARP1ADORA1ADORA2AHSD17B10NPC1
SCHEMBL1753930 0.71 MEN1 (0.59) PARP1ADORA1ADORA2AHSD17B10NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8147986-B2 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-20070075311-A1 Organic electroluminescent device FUJI PHOTO FILM CO., LTD. 2007-04-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070075311-A1 Organic electroluminescent device L1CAM, DCX, ORC3 CYP11B1 4414/4885CYP11B2 4256/4885PARP1 1699/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.